ChemSpider 2D Image | N-{4-[(2S,4R,5R,6S)-4-[4-(Hydroxymethyl)phenyl]-5-methyl-6-{[4-(2-pyrimidinyl)-1-piperazinyl]methyl}-1,3-dioxan-2-yl]benzyl}benzamide | C35H39N5O4

N-{4-[(2S,4R,5R,6S)-4-[4-(Hydroxymethyl)phenyl]-5-methyl-6-{[4-(2-pyrimidinyl)-1-piperazinyl]methyl}-1,3-dioxan-2-yl]benzyl}benzamide

  • Molecular FormulaC35H39N5O4
  • Average mass593.715 Da
  • Monoisotopic mass593.300232 Da
  • ChemSpider ID5117151

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Benzamide, N-[[4-[(2S,4R,5R,6S)-4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1,3-dioxan-2-yl]phenyl]methyl]- [ACD/Index Name]
N-{4-[(2S,4R,5R,6S)-4-[4-(Hydroxymethyl)phenyl]-5-methyl-6-{[4-(2-pyrimidinyl)-1-piperazinyl]methyl}-1,3-dioxan-2-yl]benzyl}benzamid [German] [ACD/IUPAC Name]
N-{4-[(2S,4R,5R,6S)-4-[4-(Hydroxymethyl)phenyl]-5-methyl-6-{[4-(2-pyrimidinyl)-1-piperazinyl]methyl}-1,3-dioxan-2-yl]benzyl}benzamide [ACD/IUPAC Name]
N-{4-[(2S,4R,5R,6S)-4-[4-(Hydroxyméthyl)phényl]-5-méthyl-6-{[4-(2-pyrimidinyl)-1-pipérazinyl]méthyl}-1,3-dioxan-2-yl]benzyl}benzamide [French] [ACD/IUPAC Name]

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

DIOX2_003477 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.613
Molar Refractivity: 168.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 269.41
ACD/KOC (pH 5.5): 1303.35
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 1001.33
ACD/KOC (pH 7.4): 4844.16
Polar Surface Area: 100 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 484.6±3.0 cm3

Click to predict properties on the Chemicalize site


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